Information card for entry 7219703

Structure parameters

• Formula: C120 H102 Cu3 N18 O24
• Calculated formula: C118 H102 Cu3 N17 O24
• Title of publication: New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties
• Authors of publication: Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 2583
• a: 20.6958 ± 0.0005 Å
• b: 27.2441 ± 0.0009 Å
• c: 31.2425 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17615.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.258
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2338
• Weighted residual factors for all reflections included in the refinement: 0.272
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No